Geometry & MOs

Info

ID:	15695
PubChem CID:	447413
Reduced:	N2O2C3H7 (2)
Stoich.:	A2B2C3D7 (2)
Weight, g/mol:	206.101505
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	2.94
IP(EA), eV:	-9.33(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R,7S,8S)-5-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydrotetrazolo[1,5-a]pyridine-6,7,8-triol

Drug info:

PubChemData

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C([C@@H]1[C@H]([C@@H]([C@H](C2N1NNN2)O)O)O)O

DOS

IR

Vibrations